diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2023-11-08 22:04:04 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2023-11-08 22:05:07 +0000 |
| commit | 46b92799b3455f7ff955e032b914facfff791d6b (patch) | |
| tree | bff747ac5e3bc5abdc5504d3c1710ad5e75cb766 | |
| parent | af2a67dd0c1c7a4ff28f9cb31125950f018b13c1 (diff) | |
| download | ports-46b92799b3455f7ff955e032b914facfff791d6b.tar.gz ports-46b92799b3455f7ff955e032b914facfff791d6b.zip | |
science/py-ncrystal: New port: Library for thermal neutron transport in crystals and other materials
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-ncrystal/Makefile | 36 | ||||
| -rw-r--r-- | science/py-ncrystal/distinfo | 3 | ||||
| -rw-r--r-- | science/py-ncrystal/files/patch-pyproject.toml | 10 | ||||
| -rw-r--r-- | science/py-ncrystal/pkg-descr | 7 |
5 files changed, 57 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index b4b719897c39..2c091da790bd 100644 --- a/science/Makefile +++ b/science/Makefile @@ -369,6 +369,7 @@ SUBDIR += py-mp-api SUBDIR += py-mpcontribs-client SUBDIR += py-mrchem + SUBDIR += py-ncrystal SUBDIR += py-netCDF4 SUBDIR += py-netcdf-flattener SUBDIR += py-nglview diff --git a/science/py-ncrystal/Makefile b/science/py-ncrystal/Makefile new file mode 100644 index 000000000000..30c4fcf6b840 --- /dev/null +++ b/science/py-ncrystal/Makefile @@ -0,0 +1,36 @@ +PORTNAME= ncrystal +DISTVERSIONPREFIX= v +DISTVERSION= 3.7.1 +CATEGORIES= science # physics +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Library for thermal neutron transport in crystals and other materials +WWW= https://mctools.github.io/ncrystal/ + +LICENSE= APACHE20 +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= ${PY_SETUPTOOLS} \ + ${PYNUMPY} \ + ${PYTHON_PKGNAMEPREFIX}scikit-build>0:devel/py-scikit-build@${PY_FLAVOR} \ + cmake:devel/cmake-core + +USES= python +USE_PYTHON= pep517 autoplist + +USE_GITHUB= yes +GH_ACCOUNT= mctools + +POST_PLIST= fix-plist + +post-install: + # delete scripts (they are installed by science/ncrystal) + @${RM} ${STAGEDIR}${PREFIX}/bin/* + # strip binary + @${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/NCrystal/ncrystal_pyinst_data/lib/libNCrystal.so + +fix-plist: # see post-install + @${REINPLACE_CMD} -e "s|^bin/.*$$||" ${TMPPLIST} + +.include <bsd.port.mk> diff --git a/science/py-ncrystal/distinfo b/science/py-ncrystal/distinfo new file mode 100644 index 000000000000..6e0e9a659c6a --- /dev/null +++ b/science/py-ncrystal/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1699390662 +SHA256 (mctools-ncrystal-v3.7.1_GH0.tar.gz) = ce523dd3aca1d0fd1989cd4d48cc3e2ce90590c47e219e2f2394677c63a87076 +SIZE (mctools-ncrystal-v3.7.1_GH0.tar.gz) = 1839587 diff --git a/science/py-ncrystal/files/patch-pyproject.toml b/science/py-ncrystal/files/patch-pyproject.toml new file mode 100644 index 000000000000..477838aab7bb --- /dev/null +++ b/science/py-ncrystal/files/patch-pyproject.toml @@ -0,0 +1,10 @@ +--- pyproject.toml.orig 2023-11-07 22:10:54 UTC ++++ pyproject.toml +@@ -23,7 +23,6 @@ + requires = [ + "setuptools>=42", + "scikit-build>=0.13", +- "cmake>=3.18", + "numpy" + ] + build-backend = "setuptools.build_meta" diff --git a/science/py-ncrystal/pkg-descr b/science/py-ncrystal/pkg-descr new file mode 100644 index 000000000000..11f0f875bc5d --- /dev/null +++ b/science/py-ncrystal/pkg-descr @@ -0,0 +1,7 @@ +NCrystal is a library and associated tools which enables calculations for +Monte Carlo simulations of thermal neutrons in crystals and other materials, +supporting a range of physics including both coherent, incoherent, elastic and +inelastic scatterings in a wide range of materials, including crystal powders, +mosaic single crystals, layered single crystals, amorphous solids, liquids, and +gasses. Multiphase materials or isotopically enriched materials are supported as +well, and the framework furthermore supports phase-contrast (SANS) physics. |