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Differential D13068

New port: science/dkh: Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic correction
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Authored by yuri on Nov 13 2017, 3:43 AM.
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Reviewers
tcberner
adamw
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rP454100: New port: science/dkh: Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic…
Summary

This package will support the psi4 quantum chemistry package

Diff Detail

Repository
rP FreeBSD ports repository
Lint
No Lint Coverage
Unit
No Test Coverage
Build Status
Buildable 12711
Build 12980: arc lint + arc unit

Revision Contents
Changeset List

PathSize
science/
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20 lines
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6 lines

Diff 35184

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science/Makefile

Show First 20 Lines • Show All 64 Lines • ▼ Show 20 Linespublic:
/* Default constructor: an Invalid guid */ /* Default constructor: an Invalid guid */
Guid(); Guid();
/* Construct a guid from a provided integer */ /* Construct a guid from a provided integer */
Guid(uint64_t guid); Guid(uint64_t guid);
/* Construct a guid from a string in base 8, 10, or 16 */ /* Construct a guid from a string in base 8, 10, or 16 */
Guid(const std::string &guid); Guid(const std::string &guid);
static Guid InvalidGuid(); static Guid InvalidGuid();
/* Assignment */
Guid& operator=(const Guid& rhs);
/* Test the validity of this guid. */ /* Test the validity of this guid. */
bool IsValid() const; bool IsValid() const;
/* Comparison to other Guid operators */ /* Comparison to other Guid operators */
bool operator==(const Guid& rhs) const; bool operator==(const Guid& rhs) const;
bool operator!=(const Guid& rhs) const; bool operator!=(const Guid& rhs) const;
/* Integer conversion operators */ /* Integer conversion operators */
Show All 19 LinesGuid::Guid(uint64_t guid)
: m_GUID(guid) : m_GUID(guid)
{ {
} }
inline Guid inline Guid
Guid::InvalidGuid() Guid::InvalidGuid()
{ {
return (Guid(INVALID_GUID)); return (Guid(INVALID_GUID));
}
inline Guid&
Guid::operator=(const Guid &rhs)
{
m_GUID = rhs.m_GUID;
return (*this);
} }
inline bool inline bool
Guid::IsValid() const Guid::IsValid() const
{ {
return (m_GUID != INVALID_GUID); return (m_GUID != INVALID_GUID);
} }
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science/dkh/

Show First 20 Lines • Show All 64 Lines • ▼ Show 20 Linespublic:
/* Default constructor: an Invalid guid */ /* Default constructor: an Invalid guid */
Guid(); Guid();
/* Construct a guid from a provided integer */ /* Construct a guid from a provided integer */
Guid(uint64_t guid); Guid(uint64_t guid);
/* Construct a guid from a string in base 8, 10, or 16 */ /* Construct a guid from a string in base 8, 10, or 16 */
Guid(const std::string &guid); Guid(const std::string &guid);
static Guid InvalidGuid(); static Guid InvalidGuid();
/* Assignment */
Guid& operator=(const Guid& rhs);
/* Test the validity of this guid. */ /* Test the validity of this guid. */
bool IsValid() const; bool IsValid() const;
/* Comparison to other Guid operators */ /* Comparison to other Guid operators */
bool operator==(const Guid& rhs) const; bool operator==(const Guid& rhs) const;
bool operator!=(const Guid& rhs) const; bool operator!=(const Guid& rhs) const;
/* Integer conversion operators */ /* Integer conversion operators */
Show All 19 LinesGuid::Guid(uint64_t guid)
: m_GUID(guid) : m_GUID(guid)
{ {
} }
inline Guid inline Guid
Guid::InvalidGuid() Guid::InvalidGuid()
{ {
return (Guid(INVALID_GUID)); return (Guid(INVALID_GUID));
}
inline Guid&
Guid::operator=(const Guid &rhs)
{
m_GUID = rhs.m_GUID;
return (*this);
} }
inline bool inline bool
Guid::IsValid() const Guid::IsValid() const
{ {
return (m_GUID != INVALID_GUID); return (m_GUID != INVALID_GUID);
} }
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science/dkh/Makefile

Show First 20 Lines • Show All 64 Lines • ▼ Show 20 Linespublic:
/* Default constructor: an Invalid guid */ /* Default constructor: an Invalid guid */
Guid(); Guid();
/* Construct a guid from a provided integer */ /* Construct a guid from a provided integer */
Guid(uint64_t guid); Guid(uint64_t guid);
/* Construct a guid from a string in base 8, 10, or 16 */ /* Construct a guid from a string in base 8, 10, or 16 */
Guid(const std::string &guid); Guid(const std::string &guid);
static Guid InvalidGuid(); static Guid InvalidGuid();
/* Assignment */
Guid& operator=(const Guid& rhs);
/* Test the validity of this guid. */ /* Test the validity of this guid. */
bool IsValid() const; bool IsValid() const;
/* Comparison to other Guid operators */ /* Comparison to other Guid operators */
bool operator==(const Guid& rhs) const; bool operator==(const Guid& rhs) const;
bool operator!=(const Guid& rhs) const; bool operator!=(const Guid& rhs) const;
/* Integer conversion operators */ /* Integer conversion operators */
Show All 19 LinesGuid::Guid(uint64_t guid)
: m_GUID(guid) : m_GUID(guid)
{ {
} }
inline Guid inline Guid
Guid::InvalidGuid() Guid::InvalidGuid()
{ {
return (Guid(INVALID_GUID)); return (Guid(INVALID_GUID));
}
inline Guid&
Guid::operator=(const Guid &rhs)
{
m_GUID = rhs.m_GUID;
return (*this);
} }
inline bool inline bool
Guid::IsValid() const Guid::IsValid() const
{ {
return (m_GUID != INVALID_GUID); return (m_GUID != INVALID_GUID);
} }
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science/dkh/distinfo

Show First 20 Lines • Show All 64 Lines • ▼ Show 20 Linespublic:
/* Default constructor: an Invalid guid */ /* Default constructor: an Invalid guid */
Guid(); Guid();
/* Construct a guid from a provided integer */ /* Construct a guid from a provided integer */
Guid(uint64_t guid); Guid(uint64_t guid);
/* Construct a guid from a string in base 8, 10, or 16 */ /* Construct a guid from a string in base 8, 10, or 16 */
Guid(const std::string &guid); Guid(const std::string &guid);
static Guid InvalidGuid(); static Guid InvalidGuid();
/* Assignment */
Guid& operator=(const Guid& rhs);
/* Test the validity of this guid. */ /* Test the validity of this guid. */
bool IsValid() const; bool IsValid() const;
/* Comparison to other Guid operators */ /* Comparison to other Guid operators */
bool operator==(const Guid& rhs) const; bool operator==(const Guid& rhs) const;
bool operator!=(const Guid& rhs) const; bool operator!=(const Guid& rhs) const;
/* Integer conversion operators */ /* Integer conversion operators */
Show All 19 LinesGuid::Guid(uint64_t guid)
: m_GUID(guid) : m_GUID(guid)
{ {
} }
inline Guid inline Guid
Guid::InvalidGuid() Guid::InvalidGuid()
{ {
return (Guid(INVALID_GUID)); return (Guid(INVALID_GUID));
}
inline Guid&
Guid::operator=(const Guid &rhs)
{
m_GUID = rhs.m_GUID;
return (*this);
} }
inline bool inline bool
Guid::IsValid() const Guid::IsValid() const
{ {
return (m_GUID != INVALID_GUID); return (m_GUID != INVALID_GUID);
} }
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science/dkh/pkg-descr

Show First 20 Lines • Show All 64 Lines • ▼ Show 20 Linespublic:
/* Default constructor: an Invalid guid */ /* Default constructor: an Invalid guid */
Guid(); Guid();
/* Construct a guid from a provided integer */ /* Construct a guid from a provided integer */
Guid(uint64_t guid); Guid(uint64_t guid);
/* Construct a guid from a string in base 8, 10, or 16 */ /* Construct a guid from a string in base 8, 10, or 16 */
Guid(const std::string &guid); Guid(const std::string &guid);
static Guid InvalidGuid(); static Guid InvalidGuid();
/* Assignment */
Guid& operator=(const Guid& rhs);
/* Test the validity of this guid. */ /* Test the validity of this guid. */
bool IsValid() const; bool IsValid() const;
/* Comparison to other Guid operators */ /* Comparison to other Guid operators */
bool operator==(const Guid& rhs) const; bool operator==(const Guid& rhs) const;
bool operator!=(const Guid& rhs) const; bool operator!=(const Guid& rhs) const;
/* Integer conversion operators */ /* Integer conversion operators */
Show All 19 LinesGuid::Guid(uint64_t guid)
: m_GUID(guid) : m_GUID(guid)
{ {
} }
inline Guid inline Guid
Guid::InvalidGuid() Guid::InvalidGuid()
{ {
return (Guid(INVALID_GUID)); return (Guid(INVALID_GUID));
}
inline Guid&
Guid::operator=(const Guid &rhs)
{
m_GUID = rhs.m_GUID;
return (*this);
} }
inline bool inline bool
Guid::IsValid() const Guid::IsValid() const
{ {
return (m_GUID != INVALID_GUID); return (m_GUID != INVALID_GUID);
} }
Show All 29 Lines
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science/dkh/pkg-plist

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