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Index: head/science/Makefile
===================================================================
--- head/science/Makefile
+++ head/science/Makefile
@@ -75,6 +75,7 @@
SUBDIR += lamprop
SUBDIR += libaec
SUBDIR += libctl
+ SUBDIR += libefp
SUBDIR += libgeodecomp
SUBDIR += libghemical
SUBDIR += libint
Index: head/science/libefp/Makefile
===================================================================
--- head/science/libefp/Makefile
+++ head/science/libefp/Makefile
@@ -0,0 +1,22 @@
+# $FreeBSD$
+
+PORTNAME= libefp
+DISTVERSION= 1.4.2
+CATEGORIES= science
+
+MAINTAINER= yuri@FreeBSD.org
+COMMENT= Effective fragment potential method in quantum chemistry
+
+LICENSE= BSD2CLAUSE
+LICENSE_FILE= ${WRKSRC}/LICENSE
+
+USES= cmake:outsource
+USE_GITHUB= yes
+GH_ACCOUNT= ilyak
+USE_LDCONFIG= yes
+
+CMAKE_ARGS+= -DBUILD_SHARED_LIBS:BOOL=ON
+CMAKE_ARGS+= -DENABLE_XHOST:BOOL=OFF
+CMAKE_ARGS+= -DFRAGLIB_DEEP:BOOL=OFF # configuration in dependencies fails without this
+
+.include <bsd.port.mk>
Index: head/science/libefp/distinfo
===================================================================
--- head/science/libefp/distinfo
+++ head/science/libefp/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1510556535
+SHA256 (ilyak-libefp-1.4.2_GH0.tar.gz) = 23138eef66d9fbbd0da31b3130dff693cd91aab00daa78c2883147584142d594
+SIZE (ilyak-libefp-1.4.2_GH0.tar.gz) = 5613674
Index: head/science/libefp/pkg-descr
===================================================================
--- head/science/libefp/pkg-descr
+++ head/science/libefp/pkg-descr
@@ -0,0 +1,9 @@
+LIBEFP is a full implementation of the Effective Fragment Potential (EFP)
+method (EFP can be viewed as an advanced first-principles-based force-field,
+see Kaliman et al., JCC, 2013). LIBEFP facilitates extension of unique
+electronic structure methodologies designed for accurate simulations in the
+gas phase to condensed phases via QM/EFP. LIBEFP is designed to give developers
+of quantum chemistry software an easy way to add EFP support to their favourite
+package.
+
+WWW: https://libefp.github.io
Index: head/science/libefp/pkg-plist
===================================================================
--- head/science/libefp/pkg-plist
+++ head/science/libefp/pkg-plist
@@ -0,0 +1,53 @@
+include/efp.h
+lib/libefp.so
+share/cmake/libefp/libefpConfig.cmake
+share/cmake/libefp/libefpConfigVersion.cmake
+share/cmake/libefp/libefpTargets-%%CMAKE_BUILD_TYPE%%.cmake
+share/cmake/libefp/libefpTargets.cmake
+%%DATADIR%%/fraglib/2aminopyridine.efp
+%%DATADIR%%/fraglib/acetamide-gp.efp
+%%DATADIR%%/fraglib/acetamide-hb.efp
+%%DATADIR%%/fraglib/aceticacid-gp.efp
+%%DATADIR%%/fraglib/aceticacid-hb.efp
+%%DATADIR%%/fraglib/acetone.efp
+%%DATADIR%%/fraglib/adenine-stack.efp
+%%DATADIR%%/fraglib/adenine-wc.efp
+%%DATADIR%%/fraglib/ammonia.efp
+%%DATADIR%%/fraglib/benzene.efp
+%%DATADIR%%/fraglib/c2h5oh.efp
+%%DATADIR%%/fraglib/c6h6.efp
+%%DATADIR%%/fraglib/ccl4.efp
+%%DATADIR%%/fraglib/ch3oh.efp
+%%DATADIR%%/fraglib/ch4.efp
+%%DATADIR%%/fraglib/cl2.efp
+%%DATADIR%%/fraglib/cyclopentane.efp
+%%DATADIR%%/fraglib/dcm.efp
+%%DATADIR%%/fraglib/dmso.efp
+%%DATADIR%%/fraglib/ethane.efp
+%%DATADIR%%/fraglib/ethene.efp
+%%DATADIR%%/fraglib/ethyne.efp
+%%DATADIR%%/fraglib/formamide.efp
+%%DATADIR%%/fraglib/formicacid.efp
+%%DATADIR%%/fraglib/h2.efp
+%%DATADIR%%/fraglib/h2o.efp
+%%DATADIR%%/fraglib/hydrogencyanide.efp
+%%DATADIR%%/fraglib/indole.efp
+%%DATADIR%%/fraglib/methane.efp
+%%DATADIR%%/fraglib/methanol.efp
+%%DATADIR%%/fraglib/methylamine.efp
+%%DATADIR%%/fraglib/neopentane.efp
+%%DATADIR%%/fraglib/nh3.efp
+%%DATADIR%%/fraglib/nmethylacetamide.efp
+%%DATADIR%%/fraglib/pentacene.efp
+%%DATADIR%%/fraglib/pentane.efp
+%%DATADIR%%/fraglib/phenol.efp
+%%DATADIR%%/fraglib/pyrazine.efp
+%%DATADIR%%/fraglib/pyridine.efp
+%%DATADIR%%/fraglib/pyridone.efp
+%%DATADIR%%/fraglib/tetracene.efp
+%%DATADIR%%/fraglib/thymine-stack.efp
+%%DATADIR%%/fraglib/thymine-wc.efp
+%%DATADIR%%/fraglib/uracil-gp.efp
+%%DATADIR%%/fraglib/uracil.efp
+%%DATADIR%%/fraglib/water.efp
+%%DATADIR%%/makefp.inp

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